SCHEMBL22718596

SCHEMBL22718596

CC(C)c1ccc(C(=O)Nc2ccc3sc(CCC(=O)O)cc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
USP5 P45974 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22746590 0.89 SMN1; SMN2 (0.44) HDAC1SMN1; SMN2HDAC6HDAC3HDAC2
SCHEMBL22718538 0.88 NPC1 (0.51) HDAC1SMN1; SMN2KDM4EALDH1A1NR1H4
SCHEMBL22718570 0.87 TP53 (0.45) HDAC1SMN1; SMN2HDAC6HDAC3HDAC2
SCHEMBL22718553 0.86 NR1H4 (0.60) HDAC1NR1H4TRPV1MEN1KMT2A
SCHEMBL22718633 0.85 HDAC1 (0.49) HDAC1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL22718579 0.85 KCNK3 (0.50) HDAC1SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL22718572 0.83 TRPV1 (0.54) HDAC1LMNANR1H4TRPV1MAPT
SCHEMBL24601223 0.83 HDAC1 (0.46) HDAC1SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL22746508 0.83 HDAC1 (0.46) HDAC1NR1H4TRPV1
SCHEMBL6509337 0.78 HDAC1 (0.71) HDAC1SMN1; SMN2HDAC6HDAC3HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213052-A1 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEROF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-07-07 US disclosed
US-20220213052-A1 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEROF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-07-07 US disclosed
EP-3963085-A2 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEREOF The University of North Carolina at Chapel Hill (US) 2022-03-09 EP disclosed
WO-2020242719-A2 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2020-12-03 WO disclosed
WO-2020242719-A2 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2020-12-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220213052-A1 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEROF HNRNPF, RBM3, RBM15 HDAC1 1875/4885SMN1; SMN2 1704/4885HDAC6 1009/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.